2,5-bis(bromanyl)terephthalic acid; terephthalate

Systemtic Name: 2,5-bis(bromanyl)terephthalic acid; terephthalate Openeye Name: 2,5-dibromoterephthalic acid; terephthalate CAS Name: 2,5-dibromoterephthalic acid; terephthalate IUPAC Name: 2,5-dibromoterephthalic acid; terephthalate Traditional Name: 2,5-dibromoterephthalic acid; terephthalate Formula: C16H8Br2O8-2 MolecularWeight: 488.03792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O

InChI

InChI=1S/C8H4Br2O4.C8H6O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14;9-7(10)5-1-2-6(4-3-5)8(11)12/h1-2H,(H,11,12)(H,13,14);1-4H,(H,9,10)(H,11,12)/p-2